78518-73-7

Basic information

• Product Name: (3R,9aα)-Decahydro-2,2,5aβ,7-tetramethyl-6β-[2-[(1R,3aR,5S,8aR)-1,2,3,3a,4,5,8,8a-octahydro-1-hydroxy-1,4,4,6-tetramethylazulen-5-yl]ethyl]-1-benzoxepine-3α,7β-diol
• Synonyms: (-)-Sipholenol A;Sipholenol;Sipholenol A;(3S,9aβ)-Decahydro-2,2,5aα,7-tetramethyl-6α-[2-[(1S,3aS,5R,8aS)-1,2,3,3a,4,5,8,8a-octahydro-1-hydroxy-1,4,4,6-tetramethylazulene-5-yl]ethyl]-1-benzoxepin-3β,7α-diol;(3S,9aβ)-Decahydro-2,2,5aα,7-tetramethyl-6α-[2-[[(1S)-1,2,3,3aβ,4,5,8,8aβ-octahydro-1β-hydroxy-1,4,4,6-tetramethylazulen]-5α-yl]ethyl]-1-benzoxepin-3β,7α-diol
• CAS NO: 78518-73-7
• Molecular Formula: C₃₀H₅₂O₄
• Molecular Weight: 476.7315
• Mol File: 78518-73-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 572.3°Cat760mmHg
• Flash Point: 299.9°C
• Appearance: /
• Density: 1.014g/cm³
• Vapor Pressure: 1.76E-15mmHg at 25°C
• Refractive Index: 1.502
• CAS DataBase Reference: (3R,9aα)-Decahydro-2,2,5aβ,7-tetramethyl-6β-[2-[(1R,3aR,5S,8aR)-1,2,3,3a,4,5,8,8a-octahydro-1-hydroxy-1,4,4,6-tetramethylazulen-5-yl]ethyl]-1-benzoxepine-3α,7β-diol(CAS DataBase Reference)
• NIST Chemistry Reference: (3R,9aα)-Decahydro-2,2,5aβ,7-tetramethyl-6β-[2-[(1R,3aR,5S,8aR)-1,2,3,3a,4,5,8,8a-octahydro-1-hydroxy-1,4,4,6-tetramethylazulen-5-yl]ethyl]-1-benzoxepine-3α,7β-diol(78518-73-7)
• EPA Substance Registry System: (3R,9aα)-Decahydro-2,2,5aβ,7-tetramethyl-6β-[2-[(1R,3aR,5S,8aR)-1,2,3,3a,4,5,8,8a-octahydro-1-hydroxy-1,4,4,6-tetramethylazulen-5-yl]ethyl]-1-benzoxepine-3α,7β-diol(78518-73-7)

Safety Data

• Hazardous Substances Data: 78518-73-7(Hazardous Substances Data)

Usage

General Description

"(3R,9aα)-Decahydro-2,2,5aβ,7-tetramethyl-6β-[2-[(1R,3aR,5S,8aR)-1,2,3,3a,4,5,8,8a-octahydro-1-hydroxy-1,4,4,6-tetramethylazulen-5-yl]ethyl]-1-benzoxepine-3α,7β-diol" is a complex chemical compound with a long and specific name, indicating its precise chemical structure. It is a natural product that is commonly found in plants, particularly in certain types of essential oils. (3R,9aα)-Decahydro-2,2,5aβ,7-tetramethyl-6β-[2-[(1R,3aR,5S,8aR)-1,2,3,3a,4,5,8,8a-octahydro-1-hydroxy-1,4,4,6-tetramethylazulen-5-yl]ethyl]-1-benzoxepine-3α,7β-diol is known for its unique aromatic properties and is often used in the fragrance and flavoring industries. It also has potential medicinal properties and is being studied for its potential use in the treatment of various ailments. Due to its intricate structure and potential applications, this chemical compound is of interest to researchers in various scientific fields.

InChI:InChI=1/C30H52O4/c1-19-9-10-22-21(13-17-29(22,7)32)26(2,3)20(19)11-12-23-28(6)16-14-24(31)27(4,5)34-25(28)15-18-30(23,8)33/h9,20-25,31-33H,10-18H2,1-8H3/t20-,21+,22+,23+,24+,25+,28+,29+,30-/m0/s1

Upstream product

• 78518-74-8 sipholenone A 

Downstream Products

• 132059-28-0 (S)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (3S,5aS,6S,7R,9aS)-7-hydroxy-6-[2-((1S,3aS,5R,8aS)-1-hydroxy-1,4,4,6-tetramethyl-1,2,3,3a,4,5,8,8a-octahydro-azulen-5-yl)-ethyl]-2,2,5a,7-tetramethyl-decahydro-benzo[b]oxepin-3-yl ester 
• 133696-64-7 (R)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (3S,5aS,6S,7R,9aS)-7-hydroxy-6-[2-((1S,3aS,5R,8aS)-1-hydroxy-1,4,4,6-tetramethyl-1,2,3,3a,4,5,8,8a-octahydro-azulen-5-yl)-ethyl]-2,2,5a,7-tetramethyl-decahydro-benzo[b]oxepin-3-yl ester 
• 78518-74-8 sipholenone A 
• 78518-74-8 sipholenone-A 
• 133696-65-8 (S)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (3R,5aS,6S,7R,9aS)-7-hydroxy-6-[2-((1S,3aS,5R,8aS)-1-hydroxy-1,4,4,6-tetramethyl-1,2,3,3a,4,5,8,8a-octahydro-azulen-5-yl)-ethyl]-2,2,5a,7-tetramethyl-decahydro-benzo[b]oxepin-3-yl ester 
• 1455460-35-1 anhydrosipholenol A 4-o-benzoate 
• 1455460-37-3 C₃₈H₅₆O₄ 
• 1455460-38-4 C₃₇H₅₃ClO₄ 
• 1455460-40-8 sipholenol A 4-benzyl ether 
• 1455460-29-3 sipholenol A 4-o-benzoate 
• 1455460-31-7 C₃₈H₅₈O₅ 
• 1455460-32-8 C₃₇H₅₅ClO₅ 
• 1455460-39-5 C₃₇H₅₈O₄ 
• 1455460-41-9 C₃₈H₅₉NO₅ 

Relevant articles and documents

New triterpenoids from the red sea sponge Siphonochalina siphonella

Clear differences were found when comparing the chemical content of the northern, Gulf of Eilat, to the southern-central, Dahlak archipelago, Red Sea sponge Siphonochalina siphonella. The Dahlak sponge was found to be richer in the more polar triterpenes. Nine new compounds (1-4, 7, 8, 15-17) were isolated and identified, among them two sipholane glycosides, sipholenoside A and B (7 and 8), and one compound, dahabinone A (17), possessing a new skeleton.